2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H30N6O3S2 MolecularWeight: 490.642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H30N6O3S2/c29-20(25-13-15-27(16-14-25)33(30,31)19-7-3-1-4-8-19)17-32-22-24-23-21(28(22)18-9-10-18)26-11-5-2-6-12-26/h1,3-4,7-8,18H,2,5-6,9-17H2